Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.58 |
| ▸ | MMP8 | P22894 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PPID | Q08752 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5606082 | 1.00 | RIPK1 (0.58) | RIPK1MMP8CYP2C19EPHX2CYP3A4 | |
| SCHEMBL19176844 | 0.81 | RIPK1 (0.76) | RIPK1MMP8CYP2C19EPHX2CYP3A4 | |
| SCHEMBL10936611 | 0.80 | RIPK1 (0.56) | RIPK1MMP8CYP2C19EPHX2CYP3A4 | |
| SCHEMBL557055 | 0.79 | RIPK1 (0.68) | RIPK1MMP8CYP2C19EPHX2CYP3A4 | |
| SCHEMBL2746269 | 0.78 | RIPK1 (0.67) | RIPK1MMP8CYP2C19OPRK1SMN1; SMN2 | |
| SCHEMBL20363299 | 0.78 | RIPK1 (0.67) | RIPK1MMP8CYP2C19EPHX2CYP3A4 | |
| SCHEMBL16644093 | 0.76 | RIPK1 (0.69) | RIPK1MMP8CYP2C19OPRK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL30910171 | 0.76 | RIPK1 (0.64) | RIPK1MMP8CYP2C19EPHX2CYP3A4 | |
| SCHEMBL10936211 | 0.76 | RIPK1 (0.55) | RIPK1MMP8CYP2C19EPHX2CYP3A4 | |
| SCHEMBL20363329 | 0.75 | RIPK1 (0.62) | RIPK1MMP8CYP2C19EPHX2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1664003-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028454-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |